SCHEMBL8306485

SCHEMBL8306485

Oc1ccc2ncnc(Nc3ccc(OCc4ccccn4)cc3F)c2c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.53
ERBB2 P04626 6/20 0.53
KDR P35968 5/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
DYRK1A Q13627 2/20 0.48
ERBB4 Q15303 1/20 0.48
CCNT1 O60563 1/20 0.48
GSK3B P49841 1/20 0.48
CDK9 P50750 1/20 0.48
RAF1 P04049 6/20 0.47
BRAF P15056 6/20 0.47
RET P07949 2/20 0.47
KIF5B P33176 2/20 0.47
LCK P06239 1/20 0.46
FLT1 P17948 2/20 0.44
FGFR1 P11362 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8305114 0.89 EGFR (0.49) EGFRERBB2KDRMEN1MAPT
SCHEMBL8309481 0.87 EGFR (0.50) EGFRERBB2KDRMEN1MAPT
SCHEMBL8309434 0.85 EGFR (0.66) EGFRERBB2KDRDYRK1AERBB4
SCHEMBL8306919 0.85 KDR (0.65) EGFRERBB2KDRERBB4RET
SCHEMBL8309848 0.85 ALDH1A1 (0.57) EGFRERBB2MEN1MAPTKMT2A
SCHEMBL8308072 0.84 EGFR (0.49) EGFRERBB2KDRDYRK1AERBB4
SCHEMBL8782984 0.84 DYRK1A (0.53) EGFRERBB2KDRMEN1MAPT
SCHEMBL8443996 0.83 CYP3A4 (0.54) EGFRERBB2KDRMEN1MAPT
SCHEMBL8309923 0.80 EGFR (0.56) EGFRERBB2KDRMAPTERBB4
SCHEMBL8619875 0.78 MAPT (0.39) EGFRMAPTBRAF

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 WO disclosed